smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CNC(=O)c1ccc(CS(C)(=O)=O)cc1)[NH+]1CCOCC1 ZINC000029957736 202192195 /nfs/dbraw/zinc/19/21/95/202192195.db2.gz SFUJLVVVZGRSHR-CYBMUJFWSA-N 1 2 340.445 0.682 10 0 ECAELO COc1cc2[nH]c(=O)n(CC[NH+]3CCOCC3)c(=O)c2cc1OC ZINC000073658063 202370729 /nfs/dbraw/zinc/37/07/29/202370729.db2.gz BXQQGOZVZYYKBP-UHFFFAOYSA-N 1 2 335.360 0.039 10 0 ECAELO Cc1c(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)cnn1C1CCCC1 ZINC000193283919 240090285 /nfs/dbraw/zinc/09/02/85/240090285.db2.gz UFRNPFLHACIEEP-CQSZACIVSA-N 1 2 349.435 0.692 10 0 ECAELO Cc1c(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cnn1C1CCCC1 ZINC000193283919 240090288 /nfs/dbraw/zinc/09/02/88/240090288.db2.gz UFRNPFLHACIEEP-CQSZACIVSA-N 1 2 349.435 0.692 10 0 ECAELO C[N@@H+]1CCO[C@H](CNC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000106758861 204209970 /nfs/dbraw/zinc/20/99/70/204209970.db2.gz ABWZZXDBFFFIML-CYBMUJFWSA-N 1 2 332.404 0.626 10 0 ECAELO C[N@H+]1CCO[C@H](CNC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000106758861 204209974 /nfs/dbraw/zinc/20/99/74/204209974.db2.gz ABWZZXDBFFFIML-CYBMUJFWSA-N 1 2 332.404 0.626 10 0 ECAELO CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000112195875 204385152 /nfs/dbraw/zinc/38/51/52/204385152.db2.gz MMBHDPGSPFLHCB-DLBZAZTESA-N 1 2 347.459 0.961 10 0 ECAELO CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000112195875 204385157 /nfs/dbraw/zinc/38/51/57/204385157.db2.gz MMBHDPGSPFLHCB-DLBZAZTESA-N 1 2 347.459 0.961 10 0 ECAELO O=C(Cc1ccccc1OC(F)F)NC[C@H](O)C[NH+]1CCOCC1 ZINC000128149201 205134363 /nfs/dbraw/zinc/13/43/63/205134363.db2.gz OWJUAJPRCIDENH-ZDUSSCGKSA-N 1 2 344.358 0.640 10 0 ECAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000128165358 205135001 /nfs/dbraw/zinc/13/50/01/205135001.db2.gz CRPIOSDJUMWUPX-YUTCNCBUSA-N 1 2 340.370 0.878 10 0 ECAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cccnc1Br ZINC000132894056 205346868 /nfs/dbraw/zinc/34/68/68/205346868.db2.gz UJBQRWGAEYILQG-JTQLQIEISA-N 1 2 344.209 0.267 10 0 ECAELO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)NCCCc2ccccc2)C[C@H]1C ZINC000174334081 207013117 /nfs/dbraw/zinc/01/31/17/207013117.db2.gz PHOTZTDGVJBADH-HZPDHXFCSA-N 1 2 347.459 0.649 10 0 ECAELO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)NCCCc2ccccc2)C[C@H]1C ZINC000174334081 207013121 /nfs/dbraw/zinc/01/31/21/207013121.db2.gz PHOTZTDGVJBADH-HZPDHXFCSA-N 1 2 347.459 0.649 10 0 ECAELO Cc1cc(C)c(OCC(=O)NC[C@H](O)C[NH+]2CCOCC2)c(C)c1 ZINC000176439032 207227503 /nfs/dbraw/zinc/22/75/03/207227503.db2.gz HWWNJPMTIREOKR-INIZCTEOSA-N 1 2 336.432 0.800 10 0 ECAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)CCNC(N)=O ZINC000176528874 207235934 /nfs/dbraw/zinc/23/59/34/207235934.db2.gz MABQYTNADDYACH-GFCCVEGCSA-N 1 2 340.449 0.638 10 0 ECAELO C[C@@H]1CN(Cc2cc(=O)n3ccsc3n2)C[C@@H]1[NH+]1CCOCC1 ZINC000177265770 207313042 /nfs/dbraw/zinc/31/30/42/207313042.db2.gz IRQGMHXJSAXZMT-OCCSQVGLSA-N 1 2 334.445 0.909 10 0 ECAELO CC(C)OC[C@@H](O)CN(Cc1cn2c([nH+]1)CCCC2)S(C)(=O)=O ZINC000328640583 258024285 /nfs/dbraw/zinc/02/42/85/258024285.db2.gz XMZRJLOXFPEXGA-AWEZNQCLSA-N 1 2 345.465 0.767 10 0 ECAELO CC(C)c1csc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000192969760 165050869 /nfs/dbraw/zinc/05/08/69/165050869.db2.gz BGNZJVWKEXWOQO-JTQLQIEISA-N 1 2 326.422 0.652 10 0 ECAELO CC(C)c1csc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000192969760 165050871 /nfs/dbraw/zinc/05/08/71/165050871.db2.gz BGNZJVWKEXWOQO-JTQLQIEISA-N 1 2 326.422 0.652 10 0 ECAELO C[C@@H]1CN(CC(=O)Nc2ccccc2C(N)=O)C[C@H]1[NH+]1CCOCC1 ZINC000246555150 165138606 /nfs/dbraw/zinc/13/86/06/165138606.db2.gz UJHHLJBCIMYJJP-CZUORRHYSA-N 1 2 346.431 0.377 10 0 ECAELO CC[NH+]1CCN(C(=O)[C@H](C)N2CCO[C@@H](c3n[nH]c(C)n3)C2)CC1 ZINC000246846063 165145234 /nfs/dbraw/zinc/14/52/34/165145234.db2.gz DSSJJZBABVUFHM-GXTWGEPZSA-N 1 2 336.440 0.039 10 0 ECAELO CC1(C)COCC[N@@H+]1CCNc1cc(N2CCC[C@H]2CO)ncn1 ZINC000247250892 165157794 /nfs/dbraw/zinc/15/77/94/165157794.db2.gz TXWUQOJUGOPIKP-AWEZNQCLSA-N 1 2 335.452 0.960 10 0 ECAELO CC1(C)COCC[N@H+]1CCNc1cc(N2CCC[C@H]2CO)ncn1 ZINC000247250892 165157799 /nfs/dbraw/zinc/15/77/99/165157799.db2.gz TXWUQOJUGOPIKP-AWEZNQCLSA-N 1 2 335.452 0.960 10 0 ECAELO CC[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2)CC[N@@H+]1C[C@H](C)O ZINC000248634360 165182258 /nfs/dbraw/zinc/18/22/58/165182258.db2.gz PWJZWLUIQYZTFN-GXTWGEPZSA-N 1 2 327.450 0.735 10 0 ECAELO CC[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2)CC[N@H+]1C[C@H](C)O ZINC000248634360 165182262 /nfs/dbraw/zinc/18/22/62/165182262.db2.gz PWJZWLUIQYZTFN-GXTWGEPZSA-N 1 2 327.450 0.735 10 0 ECAELO COCc1cc(N2CC[NH+]([C@H](C)C(N)=O)CC2)nc(C(C)(C)C)n1 ZINC000301783049 296891413 /nfs/dbraw/zinc/89/14/13/296891413.db2.gz JTNLEOBLDHDLPN-GFCCVEGCSA-N 1 2 335.452 0.916 10 0 ECAELO O=C(C[NH+]1CCC(NC(=O)[C@H]2CNC(=O)C2)CC1)Nc1ccccc1 ZINC000194787652 263169122 /nfs/dbraw/zinc/16/91/22/263169122.db2.gz WVWKBRSFLFUBMY-CYBMUJFWSA-N 1 2 344.415 0.342 10 0 ECAELO COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@](O)(c3cn[nH]n3)C2)c1 ZINC000284925262 264257559 /nfs/dbraw/zinc/25/75/59/264257559.db2.gz VSNOMKPCUNDGMF-KRWDZBQOSA-N 1 2 345.403 0.365 10 0 ECAELO COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@](O)(c3cn[nH]n3)C2)c1 ZINC000284925262 264257563 /nfs/dbraw/zinc/25/75/63/264257563.db2.gz VSNOMKPCUNDGMF-KRWDZBQOSA-N 1 2 345.403 0.365 10 0 ECAELO COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@](O)(c3c[nH]nn3)C2)c1 ZINC000284925262 264257565 /nfs/dbraw/zinc/25/75/65/264257565.db2.gz VSNOMKPCUNDGMF-KRWDZBQOSA-N 1 2 345.403 0.365 10 0 ECAELO COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@](O)(c3c[nH]nn3)C2)c1 ZINC000284925262 264257569 /nfs/dbraw/zinc/25/75/69/264257569.db2.gz VSNOMKPCUNDGMF-KRWDZBQOSA-N 1 2 345.403 0.365 10 0 ECAELO CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000183147875 278138462 /nfs/dbraw/zinc/13/84/62/278138462.db2.gz CPUKQSFBMYSGES-VNQPRFMTSA-N 1 2 325.453 0.716 10 0 ECAELO CC(=O)N1CCC[C@@](O)(C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000345574840 298170181 /nfs/dbraw/zinc/17/01/81/298170181.db2.gz XMUHQXIOCCOJDR-IBGZPJMESA-N 1 2 345.443 0.704 10 0 ECAELO COCC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)N(C)Cc1ccccc1 ZINC000015676108 436084499 /nfs/dbraw/zinc/08/44/99/436084499.db2.gz UZZUOIUSSAPPLI-INIZCTEOSA-N 1 2 342.399 0.968 10 0 ECAELO COCC(=O)N1Cc2[nH]c[nH+]c2C[C@H]1C(=O)N(C)Cc1ccccc1 ZINC000015676108 436084511 /nfs/dbraw/zinc/08/45/11/436084511.db2.gz UZZUOIUSSAPPLI-INIZCTEOSA-N 1 2 342.399 0.968 10 0 ECAELO O=C(NC[C@@H]1CCCC[C@H]1O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000077938885 436257339 /nfs/dbraw/zinc/25/73/39/436257339.db2.gz SOBLCNOPELZQCL-GXTWGEPZSA-N 1 2 343.387 0.873 10 0 ECAELO CNC(=O)c1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000045816049 436377119 /nfs/dbraw/zinc/37/71/19/436377119.db2.gz BOSLXVUZVBNOCY-CQSZACIVSA-N 1 2 337.445 0.905 10 0 ECAELO CNC(=O)c1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000045816049 436377122 /nfs/dbraw/zinc/37/71/22/436377122.db2.gz BOSLXVUZVBNOCY-CQSZACIVSA-N 1 2 337.445 0.905 10 0 ECAELO Cc1cn2c(ncc(C(=O)NC[C@@H](C)[NH+]3CCOCC3)c2=O)s1 ZINC000092861435 436479020 /nfs/dbraw/zinc/47/90/20/436479020.db2.gz GDHRZSPWSQOPSS-SNVBAGLBSA-N 1 2 336.417 0.515 10 0 ECAELO CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000105279380 436571024 /nfs/dbraw/zinc/57/10/24/436571024.db2.gz IKXMRRRRBQPZBJ-ZIAGYGMSSA-N 1 2 326.441 0.407 10 0 ECAELO CCCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000105279380 436571029 /nfs/dbraw/zinc/57/10/29/436571029.db2.gz IKXMRRRRBQPZBJ-ZIAGYGMSSA-N 1 2 326.441 0.407 10 0 ECAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCc2ncnn2C1 ZINC000112743861 436634094 /nfs/dbraw/zinc/63/40/94/436634094.db2.gz LLEYVUOMLRWRSR-AWEZNQCLSA-N 1 2 341.419 0.956 10 0 ECAELO CC(C)(C)n1cc(C[NH+]2CCN(C(=O)CCn3cncn3)CC2)cn1 ZINC000113921766 436638427 /nfs/dbraw/zinc/63/84/27/436638427.db2.gz MXDUKWCAOWUFSE-UHFFFAOYSA-N 1 2 345.451 0.964 10 0 ECAELO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2nnc(C3CC3)n2C)CC1 ZINC000195058863 436677219 /nfs/dbraw/zinc/67/72/19/436677219.db2.gz DWVWHGRAAKRTJZ-ZDUSSCGKSA-N 1 2 334.468 0.725 10 0 ECAELO O=C1C[N@H+](C[C@]2(O)CCCN(Cc3ccccc3F)C2=O)CCN1 ZINC000067909061 436729571 /nfs/dbraw/zinc/72/95/71/436729571.db2.gz QJJFLHNGEQYKBX-QGZVFWFLSA-N 1 2 335.379 0.111 10 0 ECAELO O=C1C[N@@H+](C[C@]2(O)CCCN(Cc3ccccc3F)C2=O)CCN1 ZINC000067909061 436729573 /nfs/dbraw/zinc/72/95/73/436729573.db2.gz QJJFLHNGEQYKBX-QGZVFWFLSA-N 1 2 335.379 0.111 10 0 ECAELO CC[C@@H](Oc1ccccc1F)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000128113162 436811440 /nfs/dbraw/zinc/81/14/40/436811440.db2.gz MINZRTWAEONYGP-UKRRQHHQSA-N 1 2 340.395 0.792 10 0 ECAELO COc1ccc2c(CC(=O)NC[C@@H](O)C[NH+]3CCOCC3)coc2c1 ZINC000154135875 436772764 /nfs/dbraw/zinc/77/27/64/436772764.db2.gz NLWRUVUQUUAFAR-CQSZACIVSA-N 1 2 348.399 0.793 10 0 ECAELO CCCNC(=O)[C@@H]1CCCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000127237512 436798879 /nfs/dbraw/zinc/79/88/79/436798879.db2.gz MMMQKHJPROUVKK-HUUCEWRRSA-N 1 2 340.468 0.655 10 0 ECAELO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000159341075 436856990 /nfs/dbraw/zinc/85/69/90/436856990.db2.gz QDIKZRIWHUXXMH-OAHLLOKOSA-N 1 2 348.495 0.945 10 0 ECAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc(-c2ccccc2)n[nH]1 ZINC000129065418 436823906 /nfs/dbraw/zinc/82/39/06/436823906.db2.gz SANNAZRHFXBVFV-AWEZNQCLSA-N 1 2 330.388 0.500 10 0 ECAELO Cc1cnn(-c2ccc(C(=O)NC[C@@H](O)C[NH+]3CCOCC3)cc2)c1 ZINC000129246724 436825132 /nfs/dbraw/zinc/82/51/32/436825132.db2.gz JTOAOKQKLYQZNI-QGZVFWFLSA-N 1 2 344.415 0.604 10 0 ECAELO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CCN1CC(F)(F)F ZINC000135341420 436913768 /nfs/dbraw/zinc/91/37/68/436913768.db2.gz MABIFQHIMDNFAG-VXGBXAGGSA-N 1 2 338.374 0.595 10 0 ECAELO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCN1CC(F)(F)F ZINC000135341420 436913774 /nfs/dbraw/zinc/91/37/74/436913774.db2.gz MABIFQHIMDNFAG-VXGBXAGGSA-N 1 2 338.374 0.595 10 0 ECAELO CNC(=O)c1ccc(CN(C)C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000170924661 436961634 /nfs/dbraw/zinc/96/16/34/436961634.db2.gz IDDIGJSHBYFFQW-HNNXBMFYSA-N 1 2 334.420 0.518 10 0 ECAELO CNC(=O)c1ccc(CN(C)C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000170924661 436961635 /nfs/dbraw/zinc/96/16/35/436961635.db2.gz IDDIGJSHBYFFQW-HNNXBMFYSA-N 1 2 334.420 0.518 10 0 ECAELO CCCNC(=O)C1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000170924945 436962653 /nfs/dbraw/zinc/96/26/53/436962653.db2.gz KWSUCJNILXMNMP-CQSZACIVSA-N 1 2 326.441 0.265 10 0 ECAELO CCCNC(=O)C1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000170924945 436962654 /nfs/dbraw/zinc/96/26/54/436962654.db2.gz KWSUCJNILXMNMP-CQSZACIVSA-N 1 2 326.441 0.265 10 0 ECAELO C[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)c2ccc(F)c(F)c2)C1 ZINC000171286426 436975533 /nfs/dbraw/zinc/97/55/33/436975533.db2.gz NXFKPOFLSKHJRG-NSHDSACASA-N 1 2 327.331 0.141 10 0 ECAELO C[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)c2ccc(F)c(F)c2)C1 ZINC000171286426 436975536 /nfs/dbraw/zinc/97/55/36/436975536.db2.gz NXFKPOFLSKHJRG-NSHDSACASA-N 1 2 327.331 0.141 10 0 ECAELO 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CO[C@@H]1CCCCN(CC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000886077683 590791656 /nfs/dbraw/zinc/79/16/56/590791656.db2.gz BSIQMGAFOGNYDC-OAHLLOKOSA-N 1 2 346.431 0.758 10 0 ECAELO CC(C)C[C@@H]1Nc2[nH+]cnc(N[C@@H]3CCS(=O)(=O)C3)c2NC1=O ZINC000224011725 609716435 /nfs/dbraw/zinc/71/64/35/609716435.db2.gz YCNLNMCTZARTPP-ZJUUUORDSA-N 1 2 339.421 0.854 10 0 ECAELO C[C@H]1CN(C(=O)c2ccc(N3CCCC3)nn2)C[C@H]1[NH+]1CCOCC1 ZINC000173878571 231059195 /nfs/dbraw/zinc/05/91/95/231059195.db2.gz WEYHHXNSYRBLAW-GOEBONIOSA-N 1 2 345.447 0.870 10 0 ECAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000181825101 529788969 /nfs/dbraw/zinc/78/89/69/529788969.db2.gz OJIFSEDXNYMMHI-CQSZACIVSA-N 1 2 343.387 0.462 10 0 ECAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000181825101 529788971 /nfs/dbraw/zinc/78/89/71/529788971.db2.gz OJIFSEDXNYMMHI-CQSZACIVSA-N 1 2 343.387 0.462 10 0 ECAELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000101564238 219137134 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C[N@@H+]1CCO[C@H](CNS(=O)(=O)Cc2cccc3cccnc32)C1 ZINC000117914450 221097990 /nfs/dbraw/zinc/09/79/90/221097990.db2.gz POBIMPSCJSMISP-OAHLLOKOSA-N 1 2 335.429 0.985 10 0 ECAELO C[N@H+]1CCO[C@H](CNS(=O)(=O)Cc2cccc3cccnc32)C1 ZINC000117914450 221097993 /nfs/dbraw/zinc/09/79/93/221097993.db2.gz POBIMPSCJSMISP-OAHLLOKOSA-N 1 2 335.429 0.985 10 0 ECAELO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC000328630217 258029336 /nfs/dbraw/zinc/02/93/36/258029336.db2.gz PPSBZXGFIMVQJN-LBPRGKRZSA-N 1 2 330.392 0.878 10 0 ECAELO COc1ccc(C(C)(C)C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000133019409 533357694 /nfs/dbraw/zinc/35/76/94/533357694.db2.gz NYSCLRMWCZADGJ-HNNXBMFYSA-N 1 2 336.432 0.782 10 0 ECAELO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2c(C)nn(C)c2OC)CC1 ZINC000129113549 296661431 /nfs/dbraw/zinc/66/14/31/296661431.db2.gz MPAVCJMQZXPRGU-CYBMUJFWSA-N 1 2 337.468 0.769 10 0 ECAELO O=C(NC1CN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1)C1CC1 ZINC000190268142 165018839 /nfs/dbraw/zinc/01/88/39/165018839.db2.gz 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C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)C[C@@H]1C ZINC000122350372 222067866 /nfs/dbraw/zinc/06/78/66/222067866.db2.gz ZWBCADPAXGJDIL-NWDGAFQWSA-N 1 2 347.868 0.952 10 0 ECAELO CCC(CC)N1C[C@H](C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1=O ZINC000192491302 263165663 /nfs/dbraw/zinc/16/56/63/263165663.db2.gz ATJRDQSJGIOTFL-UONOGXRCSA-N 1 2 325.453 0.860 10 0 ECAELO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)C[C@@H](C)O1 ZINC000262421395 263177044 /nfs/dbraw/zinc/17/70/44/263177044.db2.gz CROFCUSKMDCMTC-RBSFLKMASA-N 1 2 341.452 0.493 10 0 ECAELO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)C[C@@H](C)O1 ZINC000262421395 263177045 /nfs/dbraw/zinc/17/70/45/263177045.db2.gz CROFCUSKMDCMTC-RBSFLKMASA-N 1 2 341.452 0.493 10 0 ECAELO C[C@@H]1CN(C(=O)C[NH+]2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)C[C@@H](C)O1 ZINC000262421395 263177046 /nfs/dbraw/zinc/17/70/46/263177046.db2.gz CROFCUSKMDCMTC-RBSFLKMASA-N 1 2 341.452 0.493 10 0 ECAELO C[C@@H]1CN(C(=O)C[NH+]2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)C[C@@H](C)O1 ZINC000262421395 263177047 /nfs/dbraw/zinc/17/70/47/263177047.db2.gz CROFCUSKMDCMTC-RBSFLKMASA-N 1 2 341.452 0.493 10 0 ECAELO C[C@@H]1CN(S(=O)(=O)N2CCCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000176997388 297046750 /nfs/dbraw/zinc/04/67/50/297046750.db2.gz XIOYIUTVGWUWQQ-CABCVRRESA-N 1 2 331.482 0.760 10 0 ECAELO CCCc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)n(C)n1 ZINC000093192739 436484402 /nfs/dbraw/zinc/48/44/02/436484402.db2.gz BVROWBGWTPYUBA-GFCCVEGCSA-N 1 2 337.424 0.148 10 0 ECAELO O=C(C[NH+]1CCC(Nc2cccnn2)CC1)NCC(=O)N1CCCC1 ZINC000105805309 436577380 /nfs/dbraw/zinc/57/73/80/436577380.db2.gz AMQQRNFALUXGIX-UHFFFAOYSA-N 1 2 346.435 0.092 10 0 ECAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000104797554 436563312 /nfs/dbraw/zinc/56/33/12/436563312.db2.gz YYSMOTASDYMVIB-ZDUSSCGKSA-N 1 2 336.392 0.078 10 0 ECAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000104797554 436563317 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CCn1c(N)c(C(=O)C[N@H+]2CCC[C@H]2c2ccco2)c(=O)[nH]c1=O ZINC000116291468 436649675 /nfs/dbraw/zinc/64/96/75/436649675.db2.gz PONIQHRJJXRAML-JTQLQIEISA-N 1 2 332.360 0.752 10 0 ECAELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1ccccc1-n1cccn1 ZINC000119999077 436676823 /nfs/dbraw/zinc/67/68/23/436676823.db2.gz OMMSAICRNPVMIR-CQSZACIVSA-N 1 2 345.403 0.687 10 0 ECAELO O=C(CCOc1cccc(Cl)c1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000123560860 436741044 /nfs/dbraw/zinc/74/10/44/436741044.db2.gz QAXCZNOMZUAPBH-AWEZNQCLSA-N 1 2 342.823 0.918 10 0 ECAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ncn(C)n2)nc[nH+]1 ZINC000128002811 436809451 /nfs/dbraw/zinc/80/94/51/436809451.db2.gz XQLVMSNHINUTOY-NSHDSACASA-N 1 2 345.411 0.115 10 0 ECAELO CNc1cc(N2CCC[C@H]2CNC(=O)NCc2ncn(C)n2)[nH+]cn1 ZINC000128002811 436809453 /nfs/dbraw/zinc/80/94/53/436809453.db2.gz XQLVMSNHINUTOY-NSHDSACASA-N 1 2 345.411 0.115 10 0 ECAELO C[C@@H](CCOc1ccccc1)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000128121517 436812053 /nfs/dbraw/zinc/81/20/53/436812053.db2.gz GTTQIRLSYSASEO-JKSUJKDBSA-N 1 2 336.432 0.901 10 0 ECAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)nc2)C[C@@H]1C ZINC000126225109 436783399 /nfs/dbraw/zinc/78/33/99/436783399.db2.gz BXLUCTMCUAXAIQ-NSHDSACASA-N 1 2 340.811 0.853 10 0 ECAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)nc2)C[C@@H]1C ZINC000126225109 436783400 /nfs/dbraw/zinc/78/34/00/436783400.db2.gz BXLUCTMCUAXAIQ-NSHDSACASA-N 1 2 340.811 0.853 10 0 ECAELO C[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1cnn(C)c1)C(=O)N1CCCCC1 ZINC000252830524 436839403 /nfs/dbraw/zinc/83/94/03/436839403.db2.gz AFHSWEIZSSVBQA-ZIAGYGMSSA-N 1 2 335.452 0.930 10 0 ECAELO C[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1cnn(C)c1)C(=O)N1CCCCC1 ZINC000252830524 436839409 /nfs/dbraw/zinc/83/94/09/436839409.db2.gz AFHSWEIZSSVBQA-ZIAGYGMSSA-N 1 2 335.452 0.930 10 0 ECAELO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1cn(-c2ccccc2)nn1 ZINC000158964645 436851890 /nfs/dbraw/zinc/85/18/90/436851890.db2.gz HHACWAOUEHQYAG-DZGCQCFKSA-N 1 2 344.419 0.958 10 0 ECAELO 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10 0 ECAELO COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)N[C@H](C)C(C)C)CC1 ZINC000103507592 219309739 /nfs/dbraw/zinc/30/97/39/219309739.db2.gz KQTGOBHIWKJYJH-HUUCEWRRSA-N 1 2 342.484 0.899 10 0 ECAELO C[C@@H]([NH2+]C1C(C)(C)SC1(C)C)C(=O)NC(=O)[C@@H]([NH3+])CC(=O)[O-] ZINC000033753897 212963348 /nfs/dbraw/zinc/96/33/48/212963348.db2.gz YUUXCBAZJLNDPR-SFYZADRCSA-N 1 2 331.438 0.082 10 0 ECAELO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCOCC1 ZINC000012442134 211383033 /nfs/dbraw/zinc/38/30/33/211383033.db2.gz BSNVAQLZDDVHML-INIZCTEOSA-N 1 2 331.416 0.544 10 0 ECAELO Cc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCOCC1 ZINC000012442134 211383035 /nfs/dbraw/zinc/38/30/35/211383035.db2.gz BSNVAQLZDDVHML-INIZCTEOSA-N 1 2 331.416 0.544 10 0 ECAELO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)c(C)c1F ZINC000181670964 533062289 /nfs/dbraw/zinc/06/22/89/533062289.db2.gz DAWIWTCKAXHGLL-LLVKDONJSA-N 1 2 332.397 0.752 10 0 ECAELO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(C)c1F ZINC000181670964 533062293 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O=C(CCOc1ccc(F)cc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000128981808 164683933 /nfs/dbraw/zinc/68/39/33/164683933.db2.gz OBUXLWCHGSHADQ-CQSZACIVSA-N 1 2 326.368 0.404 10 0 ECAELO C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000192022705 165039228 /nfs/dbraw/zinc/03/92/28/165039228.db2.gz KPQHAXJDENVTDN-DGCLKSJQSA-N 1 2 335.408 0.239 10 0 ECAELO C[C@H](C1CC1)n1nccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000192022705 165039230 /nfs/dbraw/zinc/03/92/30/165039230.db2.gz KPQHAXJDENVTDN-DGCLKSJQSA-N 1 2 335.408 0.239 10 0 ECAELO CCn1c2ccccc2n(CC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1=O ZINC000194624238 165068044 /nfs/dbraw/zinc/06/80/44/165068044.db2.gz SHIOBKWXTYZGKE-CYBMUJFWSA-N 1 2 332.404 0.270 10 0 ECAELO CCn1c2ccccc2n(CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1=O ZINC000194624238 165068049 /nfs/dbraw/zinc/06/80/49/165068049.db2.gz SHIOBKWXTYZGKE-CYBMUJFWSA-N 1 2 332.404 0.270 10 0 ECAELO Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)NCC(=O)N3CCCC3)C2)no1 ZINC000195518102 165083624 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Nc1nc(N)c2cc(S(=O)(=O)N3CCSCC3)ccc2[nH+]1 ZINC000029466547 436202737 /nfs/dbraw/zinc/20/27/37/436202737.db2.gz AVCKDYXSGNODOH-UHFFFAOYSA-N 1 2 325.419 0.532 10 0 ECAELO C[NH+](C)C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000047594684 436424089 /nfs/dbraw/zinc/42/40/89/436424089.db2.gz YCLCPZJTKYGGAV-KBPBESRZSA-N 1 2 325.434 0.776 10 0 ECAELO C[NH+](C)C[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000047594685 436424415 /nfs/dbraw/zinc/42/44/15/436424415.db2.gz YCLCPZJTKYGGAV-UONOGXRCSA-N 1 2 325.434 0.776 10 0 ECAELO C[C@H](CNC(=O)NCC(=O)Nc1cccc(F)c1)[NH+]1CCOCC1 ZINC000051270709 436486726 /nfs/dbraw/zinc/48/67/26/436486726.db2.gz AJUXXUVGEVZWOB-GFCCVEGCSA-N 1 2 338.383 0.784 10 0 ECAELO COC(=O)c1coc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000105817456 436580196 /nfs/dbraw/zinc/58/01/96/436580196.db2.gz LQNWGJIUBGCQGL-UHFFFAOYSA-N 1 2 342.359 0.826 10 0 ECAELO C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc2c(c1)CC(=O)N2 ZINC000104790847 436562194 /nfs/dbraw/zinc/56/21/94/436562194.db2.gz GRHJGZDDIVMUJW-FZMZJTMJSA-N 1 2 332.404 0.872 10 0 ECAELO C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc2c(c1)CC(=O)N2 ZINC000104790847 436562195 /nfs/dbraw/zinc/56/21/95/436562195.db2.gz GRHJGZDDIVMUJW-FZMZJTMJSA-N 1 2 332.404 0.872 10 0 ECAELO Cc1nc2ccccc2n1CCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104778329 436563199 /nfs/dbraw/zinc/56/31/99/436563199.db2.gz AAHRMYYFTIDNSS-AWEZNQCLSA-N 1 2 331.420 0.975 10 0 ECAELO Cc1nc2ccccc2n1CCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104778329 436563203 /nfs/dbraw/zinc/56/32/03/436563203.db2.gz AAHRMYYFTIDNSS-AWEZNQCLSA-N 1 2 331.420 0.975 10 0 ECAELO CCCC(=O)NC[C@H]1CCCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000105279438 436571065 /nfs/dbraw/zinc/57/10/65/436571065.db2.gz GITPMEUZIUDMEL-CABCVRRESA-N 1 2 340.468 0.655 10 0 ECAELO CCCC(=O)NC[C@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000105279438 436571070 /nfs/dbraw/zinc/57/10/70/436571070.db2.gz GITPMEUZIUDMEL-CABCVRRESA-N 1 2 340.468 0.655 10 0 ECAELO C[C@H](C(=O)NC(N)=O)[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000105866034 436584036 /nfs/dbraw/zinc/58/40/36/436584036.db2.gz RTYLIGIVXLCEGX-GFCCVEGCSA-N 1 2 336.440 0.339 10 0 ECAELO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000105921901 436587009 /nfs/dbraw/zinc/58/70/09/436587009.db2.gz ZYOZMZWVSMMQFM-HZPDHXFCSA-N 1 2 341.496 0.791 10 0 ECAELO C[C@H](C(=O)N(C)C)[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000105921970 436587399 /nfs/dbraw/zinc/58/73/99/436587399.db2.gz PERYKYVAEFXVLQ-CVEARBPZSA-N 1 2 335.448 0.521 10 0 ECAELO CN(C)C(=O)C1(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC000113389314 436637215 /nfs/dbraw/zinc/63/72/15/436637215.db2.gz PUCZNSSHCJPWLX-CYBMUJFWSA-N 1 2 326.441 0.265 10 0 ECAELO CN(C)C(=O)C1(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC000113389314 436637217 /nfs/dbraw/zinc/63/72/17/436637217.db2.gz PUCZNSSHCJPWLX-CYBMUJFWSA-N 1 2 326.441 0.265 10 0 ECAELO Cn1cc(C[N@@H+]2CCCN(S(=O)(=O)c3cnn(C)c3)CC2)cn1 ZINC000115581064 436647748 /nfs/dbraw/zinc/64/77/48/436647748.db2.gz UPANSFXFGBNQCT-UHFFFAOYSA-N 1 2 338.437 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ECAELO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263182049 436954547 /nfs/dbraw/zinc/95/45/47/436954547.db2.gz GVFNIOPYRIXNMF-SNVBAGLBSA-N 1 2 339.346 0.492 10 0 ECAELO CN(c1cccnn1)C1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263229060 436957695 /nfs/dbraw/zinc/95/76/95/436957695.db2.gz NEMNCGKQDPMNCC-GFCCVEGCSA-N 1 2 325.363 0.901 10 0 ECAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C)nn2C)nc[nH+]1 ZINC000173431927 437050334 /nfs/dbraw/zinc/05/03/34/437050334.db2.gz GFUHFDLHLFYSAD-LBPRGKRZSA-N 1 2 329.408 0.959 10 0 ECAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C)nn2C)[nH+]cn1 ZINC000173431927 437050339 /nfs/dbraw/zinc/05/03/39/437050339.db2.gz GFUHFDLHLFYSAD-LBPRGKRZSA-N 1 2 329.408 0.959 10 0 ECAELO COCC[N@@H+]1CCN(Cc2csc(CS(C)(=O)=O)n2)C[C@H]1C ZINC000173678100 437060760 /nfs/dbraw/zinc/06/07/60/437060760.db2.gz LEWPTGLPJAHTIB-GFCCVEGCSA-N 1 2 347.506 0.840 10 0 ECAELO COCC[N@H+]1CCN(Cc2csc(CS(C)(=O)=O)n2)C[C@H]1C ZINC000173678100 437060762 /nfs/dbraw/zinc/06/07/62/437060762.db2.gz LEWPTGLPJAHTIB-GFCCVEGCSA-N 1 2 347.506 0.840 10 0 ECAELO CC(C)n1cc([C@]2(O)CCC[N@H+](Cc3nc(N(C)C)no3)C2)nn1 ZINC000284693811 437062502 /nfs/dbraw/zinc/06/25/02/437062502.db2.gz SBSSRHGIAYWUHI-HNNXBMFYSA-N 1 2 335.412 0.792 10 0 ECAELO CC(C)n1cc([C@]2(O)CCC[N@@H+](Cc3nc(N(C)C)no3)C2)nn1 ZINC000284693811 437062506 /nfs/dbraw/zinc/06/25/06/437062506.db2.gz SBSSRHGIAYWUHI-HNNXBMFYSA-N 1 2 335.412 0.792 10 0 ECAELO O[C@H](CNC1(c2noc(C3CC3)n2)CCCC1)C[NH+]1CCOCC1 ZINC000174247212 437076848 /nfs/dbraw/zinc/07/68/48/437076848.db2.gz FKKPCJVTHSAHBK-CQSZACIVSA-N 1 2 336.436 0.999 10 0 ECAELO O[C@H](C[NH2+]C1(c2noc(C3CC3)n2)CCCC1)CN1CCOCC1 ZINC000174247212 437076851 /nfs/dbraw/zinc/07/68/51/437076851.db2.gz FKKPCJVTHSAHBK-CQSZACIVSA-N 1 2 336.436 0.999 10 0 ECAELO COCC[N@@H+]1CCN(C(=O)CCSc2nnc(C)[nH]2)C[C@H]1C ZINC000174953448 437091938 /nfs/dbraw/zinc/09/19/38/437091938.db2.gz QURULXXWQBXUSE-LLVKDONJSA-N 1 2 327.454 0.774 10 0 ECAELO COCC[N@H+]1CCN(C(=O)CCSc2nnc(C)[nH]2)C[C@H]1C ZINC000174953448 437091941 /nfs/dbraw/zinc/09/19/41/437091941.db2.gz QURULXXWQBXUSE-LLVKDONJSA-N 1 2 327.454 0.774 10 0 ECAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc([S@](C)=O)cc2)C1 ZINC000175506359 437106889 /nfs/dbraw/zinc/10/68/89/437106889.db2.gz VHNKDJDTIZXCPW-XMHCIUCPSA-N 1 2 325.434 0.554 10 0 ECAELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc([S@](C)=O)cc2)C1 ZINC000175506359 437106894 /nfs/dbraw/zinc/10/68/94/437106894.db2.gz VHNKDJDTIZXCPW-XMHCIUCPSA-N 1 2 325.434 0.554 10 0 ECAELO Cc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3C[N@H+](C)CCO3)C2=O)cc1 ZINC000176432628 437143560 /nfs/dbraw/zinc/14/35/60/437143560.db2.gz WYNZIIVVMUDJNQ-JKSUJKDBSA-N 1 2 346.431 0.730 10 0 ECAELO Cc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3C[N@@H+](C)CCO3)C2=O)cc1 ZINC000176432628 437143563 /nfs/dbraw/zinc/14/35/63/437143563.db2.gz WYNZIIVVMUDJNQ-JKSUJKDBSA-N 1 2 346.431 0.730 10 0 ECAELO COc1ccc(C[NH+]2CCN(c3cncc4ncnn43)CC2)cn1 ZINC000276655985 437145227 /nfs/dbraw/zinc/14/52/27/437145227.db2.gz YLURGVMRIGUMRC-UHFFFAOYSA-N 1 2 325.376 0.850 10 0 ECAELO COCCn1cc(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000177230150 437174423 /nfs/dbraw/zinc/17/44/23/437174423.db2.gz SZDFRSRZSNNIMZ-DZGCQCFKSA-N 1 2 337.424 0.714 10 0 ECAELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccc(OC(F)(F)F)cc1 ZINC000179169316 437253010 /nfs/dbraw/zinc/25/30/10/437253010.db2.gz ORMGEYOFMJEYRL-MNOVXSKESA-N 1 2 334.294 0.951 10 0 ECAELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccc(OC(F)(F)F)cc1 ZINC000179169316 437253015 /nfs/dbraw/zinc/25/30/15/437253015.db2.gz ORMGEYOFMJEYRL-MNOVXSKESA-N 1 2 334.294 0.951 10 0 ECAELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccnn1Cc1cccs1 ZINC000185169705 437428965 /nfs/dbraw/zinc/42/89/65/437428965.db2.gz JLLBPVYAHOCKKZ-NEPJUHHUSA-N 1 2 336.417 0.359 10 0 ECAELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1ccnn1Cc1cccs1 ZINC000185169705 437428969 /nfs/dbraw/zinc/42/89/69/437428969.db2.gz JLLBPVYAHOCKKZ-NEPJUHHUSA-N 1 2 336.417 0.359 10 0 ECAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCC2(CCO)CC2)nc[nH+]1 ZINC000187347897 437503093 /nfs/dbraw/zinc/50/30/93/437503093.db2.gz YRXIOOHFWHOKJX-CYBMUJFWSA-N 1 2 348.451 0.949 10 0 ECAELO CNc1cc(N2CCC[C@@H]2CNC(=O)NCC2(CCO)CC2)[nH+]cn1 ZINC000187347897 437503096 /nfs/dbraw/zinc/50/30/96/437503096.db2.gz YRXIOOHFWHOKJX-CYBMUJFWSA-N 1 2 348.451 0.949 10 0 ECAELO Cn1ccc2cccc(NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCO3)c21 ZINC000190522955 437627935 /nfs/dbraw/zinc/62/79/35/437627935.db2.gz IYKYPEODKJRONO-ZDUSSCGKSA-N 1 2 330.388 0.564 10 0 ECAELO Cn1ccc2cccc(NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCO3)c21 ZINC000190522955 437627940 /nfs/dbraw/zinc/62/79/40/437627940.db2.gz IYKYPEODKJRONO-ZDUSSCGKSA-N 1 2 330.388 0.564 10 0 ECAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2nc(C)c(C)s2)C[C@@H]1C ZINC000192963468 437698369 /nfs/dbraw/zinc/69/83/69/437698369.db2.gz HZYOKTRDLLEQFM-JTQLQIEISA-N 1 2 340.449 0.878 10 0 ECAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2nc(C)c(C)s2)C[C@@H]1C ZINC000192963468 437698374 /nfs/dbraw/zinc/69/83/74/437698374.db2.gz HZYOKTRDLLEQFM-JTQLQIEISA-N 1 2 340.449 0.878 10 0 ECAELO C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)n1cnc2ccccc21 ZINC000193130903 437704463 /nfs/dbraw/zinc/70/44/63/437704463.db2.gz SVEUHVUMBIGVDS-ZIAGYGMSSA-N 1 2 332.404 0.407 10 0 ECAELO O=C(C[N@H+]1CCC[C@](O)(c2cn[nH]n2)C1)N1CCc2ccccc2C1 ZINC000583617933 439488641 /nfs/dbraw/zinc/48/86/41/439488641.db2.gz KWQGTTQKEIQMEP-GOSISDBHSA-N 1 2 341.415 0.673 10 0 ECAELO O=C(C[N@@H+]1CCC[C@](O)(c2cn[nH]n2)C1)N1CCc2ccccc2C1 ZINC000583617933 439488648 /nfs/dbraw/zinc/48/86/48/439488648.db2.gz KWQGTTQKEIQMEP-GOSISDBHSA-N 1 2 341.415 0.673 10 0 ECAELO O=C(C[N@H+]1CCC[C@](O)(c2c[nH]nn2)C1)N1CCc2ccccc2C1 ZINC000583617933 439488653 /nfs/dbraw/zinc/48/86/53/439488653.db2.gz KWQGTTQKEIQMEP-GOSISDBHSA-N 1 2 341.415 0.673 10 0 ECAELO O=C(C[N@@H+]1CCC[C@](O)(c2c[nH]nn2)C1)N1CCc2ccccc2C1 ZINC000583617933 439488658 /nfs/dbraw/zinc/48/86/58/439488658.db2.gz KWQGTTQKEIQMEP-GOSISDBHSA-N 1 2 341.415 0.673 10 0 ECAELO CN(C)c1noc(CCC(=O)N2CC[NH2+][C@H](c3cccnc3)C2)n1 ZINC000328646691 320725015 /nfs/dbraw/zinc/72/50/15/320725015.db2.gz HAXKXJSYTXWKCT-ZDUSSCGKSA-N 1 2 330.392 0.636 10 0 ECAELO Cn1cc(N2CCN(c3cc(N4CCC[C@@H]4CO)nc[nH+]3)CC2)cn1 ZINC000173920033 534740703 /nfs/dbraw/zinc/74/07/03/534740703.db2.gz RALCDLBDRJECFT-CQSZACIVSA-N 1 2 343.435 0.498 10 0 ECAELO Cn1cc(N2CCN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)CC2)cn1 ZINC000173920033 534740707 /nfs/dbraw/zinc/74/07/07/534740707.db2.gz RALCDLBDRJECFT-CQSZACIVSA-N 1 2 343.435 0.498 10 0 ECAELO CC(=O)NCC(=O)NCC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173930620 526720402 /nfs/dbraw/zinc/72/04/02/526720402.db2.gz UXTCOYKFJSZIJH-GFCCVEGCSA-N 1 2 343.387 0.302 10 0 ECAELO CCn1nc(C)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1C ZINC000153304253 545823498 /nfs/dbraw/zinc/82/34/98/545823498.db2.gz STMRXTSQUXOOTM-AWEZNQCLSA-N 1 2 349.435 0.391 10 0 ECAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccnn2-c2ccccc2)C1 ZINC000179365923 545881665 /nfs/dbraw/zinc/88/16/65/545881665.db2.gz LTMPFCZNIVPFKT-AWEZNQCLSA-N 1 2 343.387 0.258 10 0 ECAELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccnn2-c2ccccc2)C1 ZINC000179365923 545881675 /nfs/dbraw/zinc/88/16/75/545881675.db2.gz LTMPFCZNIVPFKT-AWEZNQCLSA-N 1 2 343.387 0.258 10 0 ECAELO O[C@@]1(Cn2ccnn2)CC[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000671553039 548181352 /nfs/dbraw/zinc/18/13/52/548181352.db2.gz GYUQNHZERRZBBB-KRWDZBQOSA-N 1 2 340.387 0.889 10 0 ECAELO O[C@@]1(Cn2ccnn2)CC[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000671553039 548181354 /nfs/dbraw/zinc/18/13/54/548181354.db2.gz GYUQNHZERRZBBB-KRWDZBQOSA-N 1 2 340.387 0.889 10 0 ECAELO CO[C@@H]1C[C@H](c2[nH]cc[nH+]2)N(S(=O)(=O)c2cnn(C)c2C)C1 ZINC000888077651 586246029 /nfs/dbraw/zinc/24/60/29/586246029.db2.gz NOEFSCIYHSPFKK-GHMZBOCLSA-N 1 2 325.394 0.602 10 0 ECAELO Cc1cccn2cc(CC(=O)N[C@H]3COC[C@H]3Oc3cn[nH]c3)[nH+]c12 ZINC000888095111 586349630 /nfs/dbraw/zinc/34/96/30/586349630.db2.gz PXOQKJWBIQSGBB-LSDHHAIUSA-N 1 2 341.371 0.871 10 0 ECAELO O=C([C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C(F)(F)F)N1CCNC(=O)C1 ZINC000888103169 586350794 /nfs/dbraw/zinc/35/07/94/586350794.db2.gz MEGRNRHGEZQNQU-GHMZBOCLSA-N 1 2 346.309 0.243 10 0 ECAELO O=C([C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C(F)(F)F)N1CCNC(=O)C1 ZINC000888103169 586350797 /nfs/dbraw/zinc/35/07/97/586350797.db2.gz MEGRNRHGEZQNQU-GHMZBOCLSA-N 1 2 346.309 0.243 10 0 ECAELO CCc1nc[nH]c1C(=O)N1CC[NH+](CCn2ccccc2=O)CC1 ZINC000907204823 587022366 /nfs/dbraw/zinc/02/23/66/587022366.db2.gz BNVHPAGZWOTYBA-UHFFFAOYSA-N 1 2 329.404 0.592 10 0 ECAELO CN(C[C@H](O)C[NH+]1CCOCC1)S(=O)(=O)/C=C/c1ccccc1 ZINC000125912196 590375148 /nfs/dbraw/zinc/37/51/48/590375148.db2.gz MSDMOHHJWSEKQU-MZTACXPWSA-N 1 2 340.445 0.612 10 0 ECAELO Cn1cnn(CN2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)c1=O ZINC000132757631 590660626 /nfs/dbraw/zinc/66/06/26/590660626.db2.gz UQVOMRUCPSFXAH-UHFFFAOYSA-N 1 2 333.440 0.309 10 0 ECAELO COc1cc(C[NH+]2CCN([C@]3(C(N)=O)CCOC3)CC2)ccc1C ZINC000886026689 590786682 /nfs/dbraw/zinc/78/66/82/590786682.db2.gz JRJOKTDBXMUMNF-GOSISDBHSA-N 1 2 333.432 0.766 10 0 ECAELO CCN1C(=O)C[C@@H](CNS(=O)(=O)CC2CC2)[C@@H]1c1[nH+]ccn1C ZINC000886033219 590788075 /nfs/dbraw/zinc/78/80/75/590788075.db2.gz XSBYQOSSPUCZGK-GXTWGEPZSA-N 1 2 340.449 0.659 10 0 ECAELO Cc1cc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2[nH+]ccn2C)cnn1 ZINC000886097296 590795623 /nfs/dbraw/zinc/79/56/23/590795623.db2.gz QFQYRBBVBSSBHY-TZMCWYRMSA-N 1 2 328.376 0.610 10 0 ECAELO O=C1CN(c2ccccc2)C(=O)N1CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172959912 609777331 /nfs/dbraw/zinc/77/73/31/609777331.db2.gz RQCGVMLAMYJDMM-MRXNPFEDSA-N 1 2 344.415 0.819 10 0 ECAELO O=C1CN(c2ccccc2)C(=O)N1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000172959912 609777332 /nfs/dbraw/zinc/77/73/32/609777332.db2.gz RQCGVMLAMYJDMM-MRXNPFEDSA-N 1 2 344.415 0.819 10 0 ECAELO O=C1CN(c2ccccc2)C(=O)N1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000172959912 609777333 /nfs/dbraw/zinc/77/73/33/609777333.db2.gz RQCGVMLAMYJDMM-MRXNPFEDSA-N 1 2 344.415 0.819 10 0 ECAELO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 ZINC000171288332 529789758 /nfs/dbraw/zinc/78/97/58/529789758.db2.gz MKNBHQOHGGAPNL-CQSZACIVSA-N 1 2 328.372 0.293 10 0 ECAELO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(=O)n(-c3ccccc3)n2)C1 ZINC000171288332 529789759 /nfs/dbraw/zinc/78/97/59/529789759.db2.gz MKNBHQOHGGAPNL-CQSZACIVSA-N 1 2 328.372 0.293 10 0 ECAELO CNC(=C[N+](=O)[O-])NCC[S@@](=O)Cc1csc(C[NH+](C)C)n1 ZINC000101696937 219157435 /nfs/dbraw/zinc/15/74/35/219157435.db2.gz TZKMWRJRDCJAFI-PQCZLFTGSA-N 1 2 347.466 0.338 10 0 in-vitro ECAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc(C(F)(F)F)nc1 ZINC000129010425 283987975 /nfs/dbraw/zinc/98/79/75/283987975.db2.gz FKZORLLQSNBZOE-NSHDSACASA-N 1 2 333.310 0.523 10 0 ECAELO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1cccs1)NCc1ccon1 ZINC000020515619 212142902 /nfs/dbraw/zinc/14/29/02/212142902.db2.gz MKQYBTWHTRDLHH-CYBMUJFWSA-N 1 2 334.401 0.743 10 0 ECAELO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccs1)NCc1ccon1 ZINC000020515619 212142906 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/nfs/dbraw/zinc/07/22/31/165072231.db2.gz KYVKBCWPRHKRGS-NSHDSACASA-N 1 2 333.417 0.969 10 0 ECAELO Cc1nc(-c2ncccn2)sc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194751185 165072233 /nfs/dbraw/zinc/07/22/33/165072233.db2.gz KYVKBCWPRHKRGS-NSHDSACASA-N 1 2 333.417 0.969 10 0 ECAELO CNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)o1 ZINC000195059977 165074596 /nfs/dbraw/zinc/07/45/96/165074596.db2.gz CGULTBSXYWSIJZ-LLVKDONJSA-N 1 2 327.406 0.498 10 0 ECAELO CNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)o1 ZINC000195059977 165074598 /nfs/dbraw/zinc/07/45/98/165074598.db2.gz CGULTBSXYWSIJZ-LLVKDONJSA-N 1 2 327.406 0.498 10 0 ECAELO CCn1cc[nH+]c1CS(=O)(=O)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000195519829 165085051 /nfs/dbraw/zinc/08/50/51/165085051.db2.gz RRYKOCPGRHRXPL-TXEJJXNPSA-N 1 2 329.422 0.454 10 0 ECAELO O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000262727663 165377953 /nfs/dbraw/zinc/37/79/53/165377953.db2.gz BFKYCPSECMQVSH-RYUDHWBXSA-N 1 2 331.363 0.081 10 0 ECAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)nc2)C[C@H]1C ZINC000122429667 222085035 /nfs/dbraw/zinc/08/50/35/222085035.db2.gz SCGVLKQDMPGHQW-GHMZBOCLSA-N 1 2 333.841 0.811 10 0 ECAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)nc2)C[C@H]1C ZINC000122429667 222085039 /nfs/dbraw/zinc/08/50/39/222085039.db2.gz SCGVLKQDMPGHQW-GHMZBOCLSA-N 1 2 333.841 0.811 10 0 ECAELO CC[C@](C)(O)CNC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173419229 263148944 /nfs/dbraw/zinc/14/89/44/263148944.db2.gz SJVHXOUBJGLMMW-WBMJQRKESA-N 1 2 336.440 0.947 10 0 ECAELO CC[C@](C)(O)CNC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173419229 263148945 /nfs/dbraw/zinc/14/89/45/263148945.db2.gz SJVHXOUBJGLMMW-WBMJQRKESA-N 1 2 336.440 0.947 10 0 ECAELO CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H](C)[C@@H]2CCCO2)CC1 ZINC000073720312 436092531 /nfs/dbraw/zinc/09/25/31/436092531.db2.gz PTMPEBKKBNWPEI-CABCVRRESA-N 1 2 340.468 0.750 10 0 ECAELO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000074773630 436138877 /nfs/dbraw/zinc/13/88/77/436138877.db2.gz PNTXIQAEPYZOHX-NSHDSACASA-N 1 2 328.390 0.067 10 0 ECAELO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000074773630 436138879 /nfs/dbraw/zinc/13/88/79/436138879.db2.gz PNTXIQAEPYZOHX-NSHDSACASA-N 1 2 328.390 0.067 10 0 ECAELO O=C(CN1CCc2ccccc2C1=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000375742763 301205025 /nfs/dbraw/zinc/20/50/25/301205025.db2.gz JAERUILXCZANEX-INIZCTEOSA-N 1 2 343.427 0.618 10 0 ECAELO Cc1ccccc1[C@@H](CC(=O)NC[C@H](C)[NH+]1CCOCC1)NC(N)=O ZINC000076148837 436192976 /nfs/dbraw/zinc/19/29/76/436192976.db2.gz FIWSWVDHCUWVCD-GOEBONIOSA-N 1 2 348.447 0.931 10 0 ECAELO CS(=O)(=O)NCc1cc2n(n1)CCCN(c1cc[nH+]cc1F)C2 ZINC000082086529 436359666 /nfs/dbraw/zinc/35/96/66/436359666.db2.gz AIPUBUGURVZDJX-UHFFFAOYSA-N 1 2 339.396 0.877 10 0 ECAELO O=C(C[C@H](O)c1ccc(Cl)cc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000091036195 436439438 /nfs/dbraw/zinc/43/94/38/436439438.db2.gz HPUYVQXCQAKOFY-CABCVRRESA-N 1 2 342.823 0.573 10 0 ECAELO CN(CCCNC(=O)NC[C@H]1C[N@H+](C)CCO1)CC(F)(F)F ZINC000104790183 436562104 /nfs/dbraw/zinc/56/21/04/436562104.db2.gz CNPLPLYCYFABIS-NSHDSACASA-N 1 2 326.363 0.500 10 0 ECAELO CN(CCCNC(=O)NC[C@H]1C[N@@H+](C)CCO1)CC(F)(F)F ZINC000104790183 436562110 /nfs/dbraw/zinc/56/21/10/436562110.db2.gz CNPLPLYCYFABIS-NSHDSACASA-N 1 2 326.363 0.500 10 0 ECAELO C[N@@H+]1CCO[C@@H](CNC(=O)NCC(=O)N2CCc3ccccc32)C1 ZINC000104795220 436564585 /nfs/dbraw/zinc/56/45/85/436564585.db2.gz YSCCWUQLIGECOY-AWEZNQCLSA-N 1 2 332.404 0.206 10 0 ECAELO C[N@H+]1CCO[C@@H](CNC(=O)NCC(=O)N2CCc3ccccc32)C1 ZINC000104795220 436564588 /nfs/dbraw/zinc/56/45/88/436564588.db2.gz YSCCWUQLIGECOY-AWEZNQCLSA-N 1 2 332.404 0.206 10 0 ECAELO CCOC(=O)[C@H](C)N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000105846138 436581028 /nfs/dbraw/zinc/58/10/28/436581028.db2.gz WCRPKGDYWTYGCL-HOTGVXAUSA-N 1 2 327.469 0.665 10 0 ECAELO CCCNC(=O)NC(=O)C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105868973 436584015 /nfs/dbraw/zinc/58/40/15/436584015.db2.gz YPVDLJPMISAWLZ-UHFFFAOYSA-N 1 2 336.440 0.164 10 0 ECAELO CCCNC(=O)NC(=O)C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105868973 436584017 /nfs/dbraw/zinc/58/40/17/436584017.db2.gz YPVDLJPMISAWLZ-UHFFFAOYSA-N 1 2 336.440 0.164 10 0 ECAELO Cc1nnc(CN2CC[NH+](CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1C ZINC000105928125 436588306 /nfs/dbraw/zinc/58/83/06/436588306.db2.gz VNKNHKAPFVMOSW-GOEBONIOSA-N 1 2 348.495 0.936 10 0 ECAELO CC(C)(C)n1cc(C[NH+]2CCN(CCNS(C)(=O)=O)CC2)cn1 ZINC000107304180 436609298 /nfs/dbraw/zinc/60/92/98/436609298.db2.gz AHFJYXSSTPERFE-UHFFFAOYSA-N 1 2 343.497 0.305 10 0 ECAELO Cc1nc(Cl)ccc1NC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000194652148 436669512 /nfs/dbraw/zinc/66/95/12/436669512.db2.gz ZLBCAIMVCRXRKG-NSHDSACASA-N 1 2 328.800 0.858 10 0 ECAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000121635502 436720387 /nfs/dbraw/zinc/72/03/87/436720387.db2.gz RIONRCYMCXAHSJ-SECBINFHSA-N 1 2 331.294 0.489 10 0 ECAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cc(F)c(F)c(F)c2)C1 ZINC000121635502 436720390 /nfs/dbraw/zinc/72/03/90/436720390.db2.gz RIONRCYMCXAHSJ-SECBINFHSA-N 1 2 331.294 0.489 10 0 ECAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ncc(C)s2)C[C@H]1C ZINC000123758090 436741892 /nfs/dbraw/zinc/74/18/92/436741892.db2.gz IDHSDEHIWKBYKF-LLVKDONJSA-N 1 2 340.449 0.959 10 0 ECAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ncc(C)s2)C[C@H]1C ZINC000123758090 436741897 /nfs/dbraw/zinc/74/18/97/436741897.db2.gz IDHSDEHIWKBYKF-LLVKDONJSA-N 1 2 340.449 0.959 10 0 ECAELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ncc(C)s2)C[C@@H]1C ZINC000123757878 436742654 /nfs/dbraw/zinc/74/26/54/436742654.db2.gz IDHSDEHIWKBYKF-NSHDSACASA-N 1 2 340.449 0.959 10 0 ECAELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ncc(C)s2)C[C@@H]1C ZINC000123757878 436742655 /nfs/dbraw/zinc/74/26/55/436742655.db2.gz IDHSDEHIWKBYKF-NSHDSACASA-N 1 2 340.449 0.959 10 0 ECAELO C[C@H](CNC(=O)N1CCCN(C(=O)C2CC2)CC1)[NH+]1CCOCC1 ZINC000124038280 436745482 /nfs/dbraw/zinc/74/54/82/436745482.db2.gz UVXWAYUYIXSJHL-CQSZACIVSA-N 1 2 338.452 0.361 10 0 ECAELO COc1cccc(Cl)c1CC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000152972909 436745510 /nfs/dbraw/zinc/74/55/10/436745510.db2.gz VAKQBXMZXONJAL-GFCCVEGCSA-N 1 2 342.823 0.700 10 0 ECAELO C[C@H](CNC(=O)Nc1cnn(-c2ncccn2)c1)[NH+]1CCOCC1 ZINC000156297097 436813284 /nfs/dbraw/zinc/81/32/84/436813284.db2.gz KGEKTTHPTPUNOW-GFCCVEGCSA-N 1 2 331.380 0.505 10 0 ECAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(Cc3cccc(F)c3)nn2)C1 ZINC000126386701 436786452 /nfs/dbraw/zinc/78/64/52/436786452.db2.gz ZLSFIOQBGNNPSV-AWEZNQCLSA-N 1 2 333.367 0.526 10 0 ECAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cn(Cc3cccc(F)c3)nn2)C1 ZINC000126386701 436786455 /nfs/dbraw/zinc/78/64/55/436786455.db2.gz ZLSFIOQBGNNPSV-AWEZNQCLSA-N 1 2 333.367 0.526 10 0 ECAELO Cc1noc(C)c1C[NH+]1CC(N2C[C@H](O)C[C@H]2C(=O)NCC2CC2)C1 ZINC000257191488 436859378 /nfs/dbraw/zinc/85/93/78/436859378.db2.gz PTSONKUSASNIRF-WBVHZDCISA-N 1 2 348.447 0.437 10 0 ECAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1coc(-c2ccccc2)n1 ZINC000132833632 436870642 /nfs/dbraw/zinc/87/06/42/436870642.db2.gz UJWPRNVRTRBHHJ-AWEZNQCLSA-N 1 2 331.372 0.765 10 0 ECAELO C=CC(=O)NCCC(=O)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000162321502 436905716 /nfs/dbraw/zinc/90/57/16/436905716.db2.gz RLRDJJHYHVIAJP-UHFFFAOYSA-N 1 2 347.463 0.975 10 0 ECAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(C(=O)N3CCCC3)n2)C1 ZINC000162387923 436905818 /nfs/dbraw/zinc/90/58/18/436905818.db2.gz MUMJGQXHVFKGMD-ZDUSSCGKSA-N 1 2 332.404 0.378 10 0 ECAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(C(=O)N3CCCC3)n2)C1 ZINC000162387923 436905822 /nfs/dbraw/zinc/90/58/22/436905822.db2.gz MUMJGQXHVFKGMD-ZDUSSCGKSA-N 1 2 332.404 0.378 10 0 ECAELO O=C(Cc1ccc(-n2cnnn2)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172756945 437029988 /nfs/dbraw/zinc/02/99/88/437029988.db2.gz MFXKADTVPKFECB-MRXNPFEDSA-N 1 2 342.403 0.138 10 0 ECAELO CCNC(=O)CCCC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173447726 437050153 /nfs/dbraw/zinc/05/01/53/437050153.db2.gz NIVSXHXGIYHHCU-ZDUSSCGKSA-N 1 2 348.451 0.910 10 0 ECAELO CCNC(=O)CCCC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173447726 437050154 /nfs/dbraw/zinc/05/01/54/437050154.db2.gz NIVSXHXGIYHHCU-ZDUSSCGKSA-N 1 2 348.451 0.910 10 0 ECAELO O=C(CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)N1CCCCC1 ZINC000173779461 437064200 /nfs/dbraw/zinc/06/42/00/437064200.db2.gz AWMSAMAFAKGECS-OAHLLOKOSA-N 1 2 338.452 0.505 10 0 ECAELO O=C(C[NH+]1CCN(c2ccccn2)CC1)N[C@H]1CCCn2ncnc21 ZINC000176134283 437132953 /nfs/dbraw/zinc/13/29/53/437132953.db2.gz FNOXNOCBUMMTPO-AWEZNQCLSA-N 1 2 341.419 0.446 10 0 ECAELO O=C(Cn1ccnn1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328619895 437242232 /nfs/dbraw/zinc/24/22/32/437242232.db2.gz GJGFFJATYFMDSO-CQSZACIVSA-N 1 2 342.403 0.953 10 0 ECAELO O=S(=O)(/C=C/c1ccc(F)cc1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000179007917 437247003 /nfs/dbraw/zinc/24/70/03/437247003.db2.gz FKIFXTOJIXQGTL-HYJLXUOHSA-N 1 2 344.408 0.409 10 0 ECAELO CC(C)COC(=O)CN1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000181451545 437318697 /nfs/dbraw/zinc/31/86/97/437318697.db2.gz LQCPRGYKIKBDAV-KRWDZBQOSA-N 1 2 341.496 0.912 10 0 ECAELO Cc1cn2c(ncc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)c2=O)s1 ZINC000179973157 437278566 /nfs/dbraw/zinc/27/85/66/437278566.db2.gz MVDDWFRFXFSQSS-LBPRGKRZSA-N 1 2 348.428 0.611 10 0 ECAELO C[C@@H]1CN(C(=O)c2cc(OC(F)F)n(C)n2)C[C@H]1[NH+]1CCOCC1 ZINC000185712040 437449795 /nfs/dbraw/zinc/44/97/95/437449795.db2.gz JGFPVMQQPYJIHT-ZYHUDNBSSA-N 1 2 344.362 0.814 10 0 ECAELO Cn1cc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(N)cc3)CC2)cn1 ZINC000186005390 437457069 /nfs/dbraw/zinc/45/70/69/437457069.db2.gz VNFZPXJSXKRDAS-UHFFFAOYSA-N 1 2 349.460 0.899 10 0 ECAELO Cn1cc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(N)cc3)CC2)cn1 ZINC000186005390 437457072 /nfs/dbraw/zinc/45/70/72/437457072.db2.gz VNFZPXJSXKRDAS-UHFFFAOYSA-N 1 2 349.460 0.899 10 0 ECAELO O=C(NC[C@H](O)C[NH+]1CCOCC1)C1(Cc2ccccc2F)CC1 ZINC000188279826 437540573 /nfs/dbraw/zinc/54/05/73/437540573.db2.gz GHSCMTFWVQUAPX-HNNXBMFYSA-N 1 2 336.407 0.958 10 0 ECAELO C[C@H](C1CC1)n1cc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)cn1 ZINC000188752174 437570225 /nfs/dbraw/zinc/57/02/25/437570225.db2.gz DUGPXPDPYXVGPS-RISCZKNCSA-N 1 2 335.408 0.239 10 0 ECAELO C[C@H](C1CC1)n1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000188752174 437570232 /nfs/dbraw/zinc/57/02/32/437570232.db2.gz DUGPXPDPYXVGPS-RISCZKNCSA-N 1 2 335.408 0.239 10 0 ECAELO CN(C)c1[nH+]cccc1O[C@H]1CCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000366822423 438132997 /nfs/dbraw/zinc/13/29/97/438132997.db2.gz JBVCTEXPWNSMRH-NSHDSACASA-N 1 2 337.405 0.713 10 0 ECAELO O=C(C[N@H+]1CCC[C@@](O)(c2cn[nH]n2)C1)N1CCc2ccccc2C1 ZINC000583617934 439489150 /nfs/dbraw/zinc/48/91/50/439489150.db2.gz KWQGTTQKEIQMEP-SFHVURJKSA-N 1 2 341.415 0.673 10 0 ECAELO O=C(C[N@@H+]1CCC[C@@](O)(c2cn[nH]n2)C1)N1CCc2ccccc2C1 ZINC000583617934 439489155 /nfs/dbraw/zinc/48/91/55/439489155.db2.gz KWQGTTQKEIQMEP-SFHVURJKSA-N 1 2 341.415 0.673 10 0 ECAELO O=C(C[N@H+]1CCC[C@@](O)(c2c[nH]nn2)C1)N1CCc2ccccc2C1 ZINC000583617934 439489160 /nfs/dbraw/zinc/48/91/60/439489160.db2.gz KWQGTTQKEIQMEP-SFHVURJKSA-N 1 2 341.415 0.673 10 0 ECAELO O=C(C[N@@H+]1CCC[C@@](O)(c2c[nH]nn2)C1)N1CCc2ccccc2C1 ZINC000583617934 439489167 /nfs/dbraw/zinc/48/91/67/439489167.db2.gz KWQGTTQKEIQMEP-SFHVURJKSA-N 1 2 341.415 0.673 10 0 ECAELO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)c1cccc(Cn2ccnn2)c1 ZINC000633916463 440574088 /nfs/dbraw/zinc/57/40/88/440574088.db2.gz QKXIHRHZCTUMEG-INIZCTEOSA-N 1 2 329.404 0.729 10 0 ECAELO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cccc(Cn2ccnn2)c1 ZINC000633916463 440574090 /nfs/dbraw/zinc/57/40/90/440574090.db2.gz QKXIHRHZCTUMEG-INIZCTEOSA-N 1 2 329.404 0.729 10 0 ECAELO CO[C@@H]1CN(C(=O)Nc2cc[nH+]c(N(C)C)c2)C[C@H]1c1cn[nH]n1 ZINC000640597300 440959888 /nfs/dbraw/zinc/95/98/88/440959888.db2.gz BVSUULDMQGMVFV-WCQYABFASA-N 1 2 331.380 0.912 10 0 ECAELO CO[C@@H]1CN(C(=O)Nc2cc[nH+]c(N(C)C)c2)C[C@H]1c1c[nH]nn1 ZINC000640597300 440959896 /nfs/dbraw/zinc/95/98/96/440959896.db2.gz BVSUULDMQGMVFV-WCQYABFASA-N 1 2 331.380 0.912 10 0 ECAELO CC[C@@H]1CN(S(=O)(=O)CC[C@@H]2CCCO2)CC[N@@H+]1CCOC ZINC000120922034 545753316 /nfs/dbraw/zinc/75/33/16/545753316.db2.gz BYDRNQOOOILFMQ-CABCVRRESA-N 1 2 334.482 0.928 10 0 ECAELO CC[C@@H]1CN(S(=O)(=O)CC[C@@H]2CCCO2)CC[N@H+]1CCOC ZINC000120922034 545753319 /nfs/dbraw/zinc/75/33/19/545753319.db2.gz BYDRNQOOOILFMQ-CABCVRRESA-N 1 2 334.482 0.928 10 0 ECAELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccnn2-c2ccccc2)C1 ZINC000179365911 545881431 /nfs/dbraw/zinc/88/14/31/545881431.db2.gz LTMPFCZNIVPFKT-CQSZACIVSA-N 1 2 343.387 0.258 10 0 ECAELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccnn2-c2ccccc2)C1 ZINC000179365911 545881436 /nfs/dbraw/zinc/88/14/36/545881436.db2.gz LTMPFCZNIVPFKT-CQSZACIVSA-N 1 2 343.387 0.258 10 0 ECAELO C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000246600857 545939802 /nfs/dbraw/zinc/93/98/02/545939802.db2.gz SRDIZVFXUHYDGS-GJZGRUSLSA-N 1 2 338.452 0.407 10 0 ECAELO C[N@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000246600857 545939810 /nfs/dbraw/zinc/93/98/10/545939810.db2.gz SRDIZVFXUHYDGS-GJZGRUSLSA-N 1 2 338.452 0.407 10 0 ECAELO O=C1CCCN1C1CC[NH+](CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000104656784 589015682 /nfs/dbraw/zinc/01/56/82/589015682.db2.gz MIRPZHRSJVIYIL-GJZGRUSLSA-N 1 2 331.416 0.982 10 0 ECAELO COC(=O)c1nc(N2CCO[C@H](C[NH+]3CCN(C)CC3)C2)ccc1C ZINC000892382412 586261253 /nfs/dbraw/zinc/26/12/53/586261253.db2.gz PGRPBCLPAPXETQ-OAHLLOKOSA-N 1 2 348.447 0.629 10 0 ECAELO CO[C@@H]1C[C@@H](c2[nH]c(C)c(C)[nH+]2)N(C(=O)CN2CCOCC2=O)C1 ZINC000888103194 586350698 /nfs/dbraw/zinc/35/06/98/586350698.db2.gz OBSXJNRQQRFZQQ-OLZOCXBDSA-N 1 2 336.392 0.174 10 0 ECAELO COc1cccc(O)c1C(=O)N1CCO[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000900601543 586646654 /nfs/dbraw/zinc/64/66/54/586646654.db2.gz YBOMQIKBSCHYPD-CQSZACIVSA-N 1 2 349.431 0.489 10 0 ECAELO O=C(N[C@@H]1CCc2ncnn2C1)c1cccn1CC[NH+]1CCOCC1 ZINC000906667807 586963815 /nfs/dbraw/zinc/96/38/15/586963815.db2.gz HSKBKXAFPHMQPF-CQSZACIVSA-N 1 2 344.419 0.157 10 0 ECAELO O=C(N[C@H]1CCc2ncnn2C1)c1cccn1CC[NH+]1CCOCC1 ZINC000906667806 586963824 /nfs/dbraw/zinc/96/38/24/586963824.db2.gz HSKBKXAFPHMQPF-AWEZNQCLSA-N 1 2 344.419 0.157 10 0 ECAELO COc1cccc(/C(C)=C/C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000132350580 590632407 /nfs/dbraw/zinc/63/24/07/590632407.db2.gz MWJTUQPLJCBKAW-DKGMDFAASA-N 1 2 334.416 0.908 10 0 ECAELO CCN1C(=O)CO[C@@H](CNC(=O)c2ccoc2)[C@@H]1c1[nH+]ccn1C ZINC000886027417 590787098 /nfs/dbraw/zinc/78/70/98/590787098.db2.gz XDKSSHRPNIPJKM-GXTWGEPZSA-N 1 2 332.360 0.732 10 0 ECAELO COC(=O)[C@@H]1CC(=O)N(CN2CCc3c([nH+]c(C(C)C)n3C)C2)C1 ZINC000181376872 610175098 /nfs/dbraw/zinc/17/50/98/610175098.db2.gz UIAUAGQOWHUNKU-GFCCVEGCSA-N 1 2 334.420 0.881 10 0 ECAELO O=C1CCCN1C[C@H](O)C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000246059378 612762737 /nfs/dbraw/zinc/76/27/37/612762737.db2.gz QZPJVFPQMAWDCG-RCCFBDPRSA-N 1 2 348.443 0.794 10 0 ECAELO O=C1CCCN1C[C@H](O)C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000246059378 612762739 /nfs/dbraw/zinc/76/27/39/612762739.db2.gz QZPJVFPQMAWDCG-RCCFBDPRSA-N 1 2 348.443 0.794 10 0 ECAELO COC[C@H]1C[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)CC(C)(C)O1 ZINC000328940145 752566520 /nfs/dbraw/zinc/56/65/20/752566520.db2.gz HLYDFRDVDBDUHW-HUUCEWRRSA-N 1 2 326.437 0.892 10 0 ECAELO COC[C@H]1C[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)CC(C)(C)O1 ZINC000328940145 752566525 /nfs/dbraw/zinc/56/65/25/752566525.db2.gz HLYDFRDVDBDUHW-HUUCEWRRSA-N 1 2 326.437 0.892 10 0 ECAELO C[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2N)CC1 ZINC000037054505 213131654 /nfs/dbraw/zinc/13/16/54/213131654.db2.gz KOXCOKWCGCUCPG-UHFFFAOYSA-N 1 2 334.239 0.967 10 0 ECAELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)cn2)C[C@@H]1C ZINC000193276967 240087295 /nfs/dbraw/zinc/08/72/95/240087295.db2.gz HRXRRAVZLYWYQU-NSHDSACASA-N 1 2 340.811 0.853 10 0 ECAELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)cn2)C[C@@H]1C ZINC000193276967 240087299 /nfs/dbraw/zinc/08/72/99/240087299.db2.gz HRXRRAVZLYWYQU-NSHDSACASA-N 1 2 340.811 0.853 10 0 ECAELO C[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)N2CCc3ccccc3C2)C1 ZINC000111587820 220168024 /nfs/dbraw/zinc/16/80/24/220168024.db2.gz KMDNTFWNGXNSBT-MRXNPFEDSA-N 1 2 346.431 0.201 10 0 ECAELO C[N@H+]1CCO[C@H](CNC(=O)CNC(=O)N2CCc3ccccc3C2)C1 ZINC000111587820 220168027 /nfs/dbraw/zinc/16/80/27/220168027.db2.gz KMDNTFWNGXNSBT-MRXNPFEDSA-N 1 2 346.431 0.201 10 0 ECAELO CCS(=O)(=O)N1Cc2[nH+]ccn2C[C@@H](Cn2nc(C)nc2C)C1 ZINC000096188721 218657295 /nfs/dbraw/zinc/65/72/95/218657295.db2.gz HDVPMFSIRGOBFC-CYBMUJFWSA-N 1 2 338.437 0.573 10 0 ECAELO C[C@@H](NC(=O)CN1CCC(=O)NC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000173915004 533072239 /nfs/dbraw/zinc/07/22/39/533072239.db2.gz BXTDJGIBHWQBKV-GFCCVEGCSA-N 1 2 341.371 0.991 10 0 ECAELO CCn1cc(C[N@@H+]2CCCN(S(=O)(=O)CCOC)CC2)cn1 ZINC000112707613 220381361 /nfs/dbraw/zinc/38/13/61/220381361.db2.gz NALOESDTVPXQJP-UHFFFAOYSA-N 1 2 330.454 0.387 10 0 ECAELO CCn1cc(C[N@H+]2CCCN(S(=O)(=O)CCOC)CC2)cn1 ZINC000112707613 220381366 /nfs/dbraw/zinc/38/13/66/220381366.db2.gz NALOESDTVPXQJP-UHFFFAOYSA-N 1 2 330.454 0.387 10 0 ECAELO CCOCC[N@@H+]1CCN(C(=O)c2nc3nc(C)cc(C)n3n2)C[C@@H]1C ZINC000117279124 221042304 /nfs/dbraw/zinc/04/23/04/221042304.db2.gz GPTOLXYWCGUQDR-AWEZNQCLSA-N 1 2 346.435 0.924 10 0 ECAELO CCOCC[N@H+]1CCN(C(=O)c2nc3nc(C)cc(C)n3n2)C[C@@H]1C ZINC000117279124 221042309 /nfs/dbraw/zinc/04/23/09/221042309.db2.gz GPTOLXYWCGUQDR-AWEZNQCLSA-N 1 2 346.435 0.924 10 0 ECAELO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC000328631484 258028360 /nfs/dbraw/zinc/02/83/60/258028360.db2.gz RAHXLNPHPAAOAV-AWEZNQCLSA-N 1 2 342.399 0.989 10 0 ECAELO C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000128141339 296659028 /nfs/dbraw/zinc/65/90/28/296659028.db2.gz PXPGMSRGZJZSQM-RYUDHWBXSA-N 1 2 344.358 0.541 10 0 ECAELO Cc1nc(CC2CC2)sc1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000190101485 165018356 /nfs/dbraw/zinc/01/83/56/165018356.db2.gz JLEHQDSKRUVKLL-CYBMUJFWSA-N 1 2 339.461 0.827 10 0 ECAELO Cc1nc2ccccc2cc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000192708331 165047032 /nfs/dbraw/zinc/04/70/32/165047032.db2.gz ZMYIBIXJOYJFJL-HNNXBMFYSA-N 1 2 329.400 0.966 10 0 ECAELO O=c1[nH]c2ccc(S(=O)(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)cc2[nH]1 ZINC000193880916 165061111 /nfs/dbraw/zinc/06/11/11/165061111.db2.gz UCRAYKOCDGTDMQ-LLVKDONJSA-N 1 2 336.417 0.715 10 0 ECAELO O=c1[nH]c2ccc(S(=O)(=O)N3CC[N@H+]4CCCC[C@@H]4C3)cc2[nH]1 ZINC000193880916 165061116 /nfs/dbraw/zinc/06/11/16/165061116.db2.gz UCRAYKOCDGTDMQ-LLVKDONJSA-N 1 2 336.417 0.715 10 0 ECAELO C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000194613317 165069606 /nfs/dbraw/zinc/06/96/06/165069606.db2.gz LLNAVMGDAVUSLR-NSHDSACASA-N 1 2 344.209 0.058 10 0 ECAELO C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000194613317 165069611 /nfs/dbraw/zinc/06/96/11/165069611.db2.gz LLNAVMGDAVUSLR-NSHDSACASA-N 1 2 344.209 0.058 10 0 ECAELO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507709 165084454 /nfs/dbraw/zinc/08/44/54/165084454.db2.gz XZQBXEPJRPMMBH-LBPRGKRZSA-N 1 2 333.436 0.715 10 0 ECAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)[C@@H](C)CO)nc[nH+]1 ZINC000246320231 165131340 /nfs/dbraw/zinc/13/13/40/165131340.db2.gz NZLCDDWYBNOJGT-RWMBFGLXSA-N 1 2 336.440 0.803 10 0 ECAELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)[C@@H](C)CO)[nH+]cn1 ZINC000246320231 165131341 /nfs/dbraw/zinc/13/13/41/165131341.db2.gz NZLCDDWYBNOJGT-RWMBFGLXSA-N 1 2 336.440 0.803 10 0 ECAELO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ncn(C)c2Cl)C[C@@H]1C ZINC000122420420 222083379 /nfs/dbraw/zinc/08/33/79/222083379.db2.gz KPZZQDUPRNGJDT-VHSXEESVSA-N 1 2 336.845 0.149 10 0 ECAELO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ncn(C)c2Cl)C[C@@H]1C ZINC000122420420 222083382 /nfs/dbraw/zinc/08/33/82/222083382.db2.gz KPZZQDUPRNGJDT-VHSXEESVSA-N 1 2 336.845 0.149 10 0 ECAELO Cc1nc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)sc1C ZINC000193041300 279095658 /nfs/dbraw/zinc/09/56/58/279095658.db2.gz DSKDQQYMJPULPO-LBPRGKRZSA-N 1 2 338.433 0.632 10 0 ECAELO CC1=C(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)[C@@H](C)n2ncnc2N1C ZINC000193225635 281639992 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COCC[N@H+]1CCN(C(=O)c2nnc3ccccc3c2O)C[C@@H]1C ZINC000117425434 589763937 /nfs/dbraw/zinc/76/39/37/589763937.db2.gz XCYKYJXOZPQTDH-LBPRGKRZSA-N 1 2 330.388 0.716 10 0 ECAELO COCC[N@@H+]1CCN(CN2C(=O)C(=O)c3cccc(F)c32)C[C@H]1C ZINC000132627893 590655002 /nfs/dbraw/zinc/65/50/02/590655002.db2.gz OWPACTGXCSUKOK-GFCCVEGCSA-N 1 2 335.379 0.965 10 0 ECAELO COCC[N@H+]1CCN(CN2C(=O)C(=O)c3cccc(F)c32)C[C@H]1C ZINC000132627893 590655008 /nfs/dbraw/zinc/65/50/08/590655008.db2.gz OWPACTGXCSUKOK-GFCCVEGCSA-N 1 2 335.379 0.965 10 0 ECAELO Cc1noc(C[C@]2(O)CCC[N@H+](Cc3cn4cccnc4n3)C2)n1 ZINC000886097194 590795581 /nfs/dbraw/zinc/79/55/81/590795581.db2.gz RZZLPIIJHLPZBY-MRXNPFEDSA-N 1 2 328.376 0.990 10 0 ECAELO Cc1noc(C[C@]2(O)CCC[N@@H+](Cc3cn4cccnc4n3)C2)n1 ZINC000886097194 590795582 /nfs/dbraw/zinc/79/55/82/590795582.db2.gz RZZLPIIJHLPZBY-MRXNPFEDSA-N 1 2 328.376 0.990 10 0 ECAELO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC(OCc2nc(C3CC3)no2)C1 ZINC000886097248 590795778 /nfs/dbraw/zinc/79/57/78/590795778.db2.gz WKUMZUFYOSGSCS-ZDUSSCGKSA-N 1 2 336.392 0.395 10 0 ECAELO CC[N@H+]1CCOC[C@H]1C(=O)N1CC(OCc2nc(C3CC3)no2)C1 ZINC000886097248 590795781 /nfs/dbraw/zinc/79/57/81/590795781.db2.gz WKUMZUFYOSGSCS-ZDUSSCGKSA-N 1 2 336.392 0.395 10 0 ECAELO C[C@H]1CN(C(=O)c2ccn(CC(F)F)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000194223490 608607542 /nfs/dbraw/zinc/60/75/42/608607542.db2.gz GMBGUMXUMABNQL-AAEUAGOBSA-N 1 2 328.363 0.941 10 0 ECAELO O=C1CCCN1C[C@H](O)C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000246059368 612762676 /nfs/dbraw/zinc/76/26/76/612762676.db2.gz QZPJVFPQMAWDCG-KZNAEPCWSA-N 1 2 348.443 0.794 10 0 ECAELO O=C1CCCN1C[C@H](O)C[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000246059368 612762680 /nfs/dbraw/zinc/76/26/80/612762680.db2.gz QZPJVFPQMAWDCG-KZNAEPCWSA-N 1 2 348.443 0.794 10 0 ECAELO